Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3384635 | 0.80 | CYP1A2 (0.56) | TSHRCYP1A2CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL9317685 | 0.71 | TSHR (0.48) | TSHRCYP1A2CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL1829396 | 0.70 | TSHR (0.52) | TSHRCYP1A2CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL7157506 | 0.70 | TSHR (0.52) | TSHRCYP1A2CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL659707 | 0.70 | TSHR (0.52) | TSHRCYP1A2CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL8764225 | 0.69 | CYP2C19 (0.56) | TSHRCYP1A2CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL9661051 | 0.69 | CYP2C9 (0.47) | TSHRCYP1A2CYP2C19CYP2C9HIF1A | |
| SCHEMBL27791554 | 0.68 | CYP1A2 (0.47) | TSHRCYP1A2CYP2C19HIF1AKCNN4 | |
| SCHEMBL11306527 | 0.67 | TSHR (0.48) | TSHRCYP1A2CYP2C19CYP2C9ALDH1A1 | |
| Methylene Chloride SCHEMBL28935108 | 0.67 | TSHR (0.82) | TSHRCYP1A2CYP2C19CYP2C9ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017223140-A1 | UNIFORMLY DENSE STATIONARY PHASE FOR CHROMATOGRAPHY | PURDUE RESEARCH FOUNDATION (US) | 2017-12-28 | — | — | WO | disclosed |